The native function of amyloid-β (Aβ) peptides is still unexplored. However, several recent reports suggest a prominent role of Aβ peptides in acetylcholine homeostasis. To clarify this role of Aβ, we have reported that Aβ peptides at physiological concentrations can directly enhance the catalytic efficiency of the key cholinergic enzyme, choline acetyltransferase (ChAT), via an allosteric interaction. In the current study, we further aimed to elucidate the underlying ChAT-Aβ interaction mechanism using in silico molecular docking and dynamics analysis. Docking analysis suggested two most probable binding clusters on ChAT for Aβ40 and three for Aβ42. Most importantly, the docking results were challenged with molecular dynamic studies of 100 ns long simulation in triplicates (100 ns × 3 = 300 ns) and were analyzed for RMSD, RMSF, RoG, H-bond number and distance, SASA, and secondary structure assessment performed together with principal component analysis and the free-energy landscape diagram, which indicated that the ChAT-Aβ complex system was stable throughout the simulation time period with no abrupt motion during the evolution of the simulation across the triplicates, which also validated the robustness of the simulation study. Finally, the free-energy landscape analysis confirmed the docking results and demonstrated that the ChAT-Aβ complexes were energetically stable despite the unstructured nature of C- and N-terminals in Aβ peptides. Overall, this study supports the reported in vitro findings that Aβ peptides, particularly Aβ42, act as endogenous ChAT-Potentiating-Ligand (CPL), and thereby supports the hypothesis that one of the native biological functions of Aβ peptides is the regulation of acetylcholine homeostasis. 相似文献
Root herbivores can affect plant fitness, and roots often contain the same secondary metabolites that act as defenses in shoots, but the ecology and evolution of root chemical defense have been little investigated. Here, we investigated genetic variance, heritability, and correlations among defensive phenolic compounds in shoot vs. root tissues of common evening primrose, Oenothera biennis. Across 20 genotypes, there were roughly similar concentrations of total phenolics in shoots vs. roots, but the allocation of particular phenolics to shoots vs. roots varied along a continuum of genotype growth rate. Slow-growing genotypes allocated 2-fold more of the potential pro-oxidant oenothein B to shoots than roots, whereas fast-growing genotypes had roughly equivalent above and belowground concentrations. Phenolic concentrations in both roots and shoots were strongly heritable, with mostly positive patterns of genetic covariation. Nonetheless, there was genotype-specific variation in the presence/absence of two major ellagitannins (oenothein A and its precursor oenothein B), indicating two different chemotypes based on alterations in this chemical pathway. Overall, the presence of strong genetic variation in root defenses suggests ample scope for the evolution of these compounds as defenses against root herbivores. 相似文献
Efficient manipulation of crystallization and control over defects are crucial for optimizing the performance and durability of perovskite solar cells (PSCs). In this study, a novel organic multifunctional additive, 2-(furan-3-yl)ethanamine hydrochloride (FFEACl), is introduced which plays a pivotal role in regulating the crystallization process of FAPbI3. Incorporating FFEACl into the perovskite precursor solution effectively suppresses the formation of undesirable non-perovskite phase impurities while promoting the oriented crystallization of the α-phase FAPbI3. Moreover, the addition of FFEACl leads to a more uniform surface potential and reduced defect density in the resulting FAPbI3 film. Consequently, the top-performing PSC exhibits an impressive power conversion efficiency (PCE) of 25.41%, along with enhanced operational stability. Notably, the fabricated PSCs maintain over 80% of their initial PCE even after 1000 h of continuous operation under one-sun illumination. The findings present a facile and effective strategy for fabricating perovskite photovoltaic devices with exceptional performance and long-term reliability. 相似文献
The cover image, Sandeep Ramesh Hadpe et al., is based on the Research Article ATF for cell culture harvest clarification: mechanistic modelling and comparison with TFF, DOI: 10.1002/jctb.5165 .
The structural properties of the Ba(1?x)Dy(2x/3)ZrO3 system were investigated by means of XRD, FT-Raman, and FTIR spectroscopy. XRD analysis exhibited that lattice parameter gradually decreased with increase of Dy content. FT-Raman and FTIR analyses showed that with increase of Dy content more ordered structure was formed in the composition. The surface morphology of sintered pellets was studied by the SEM. The microwave dielectric constant and quality factor were investigated by the method as proposed by Hakki–Coleman. The microwave dielectric constants of sintered pellets were found to be decreased from 38.40 to 21.13, and the value of τf changed from 384.71 to 62.71 ppm/°C. The Q × f values changed from 5731 to 5173 in the composition between x = 0.0 and 0.1. The dielectric resonator antenna (DRA) was investigated experimentally and numerically, using a monopole antenna through an infiniteground plane and Ansoft’s high-frequency structure simulator software, respectively. The required resonance frequency and bandwidth of DRA were investigated in the composition between 0 ≤ x ≤ 0.1. 相似文献
Structural health monitoring (SHM) is becoming very significant for preventing catastrophic failures and uninterrupted operation. Due to continuous developments in SHM Lamb wave technique, finite element simulation is emerging as an initial step to be performed to visualize the potential solution to problem. The present study focus on the simulation of Lamb wave response using finite element method and its application to crack detection and identification in 3D aluminium plates and brass tubes using commercially available finite element package ABAQUS. Phase velocity and group velocity dispersion curve are initially plotted for aluminium and brass material. Subsequently simulation of distinct specimens with and without presence cracks is performed. Simulation results were validated and compared with actual results and were found to be in reasonably good agreement. A damage index parameter i.e. amplitude ratio is defined to notice the effect of crack dimensions variation. Interaction of Lamb waves with rectangular, semi-elliptical and semi-circular cracks (shallow to deep) is studied in detail. Also the application of signal processing techniques such as Spectrogram analysis, Fourier transform and Hilbert transform is also reported in this paper. 相似文献
Propylene is a crucial building block to produce many industrial-scale chemicals including polypropylene. The separation of propylene from propane to reach the high-purity levels needed for downstream applications is a difficult task due to the close similarities in their physical properties. The olefin/paraffin separation including that involving propylene mainly relies on highly energy-intensive distillation processes and accounts for nearly 0.3% of the global energy consumption. The utility of a copper complex supported by a fluorinated bis(pyrazolyl)borate is demonstrated to accomplish the separation of propylene from propane repeatedly, under mild conditions with high selectivity. Complete characterization of a rare, copper(I) propylene complex is also reported including the molecular structure. 相似文献
